CHEBI:180458 - saxitoxin(2+)

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ChEBI Name saxitoxin(2+)
ChEBI ID CHEBI:180458
Definition An iminium ion resulting from the protonation of the two imine groups of saxitoxin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
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Formula C10H19N7O4
Net Charge +2
Average Mass 301.306
Monoisotopic Mass 301.14875
InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/p+2/t4-,5-,10-/m0/s1
InChIKey RPQXVSUAYFXFJA-HGRQIUPRSA-P
SMILES [H][C@@]12NC(=[NH2+])N[C@]11N(CCC1(O)O)C(=[NH2+])N[C@H]2COC(N)=O
ChEBI Ontology
Outgoing saxitoxin(2+) (CHEBI:180458) is a iminium ion (CHEBI:35286)
saxitoxin(2+) (CHEBI:180458) is conjugate acid of saxitoxin (CHEBI:34970)
Incoming saxitoxin (CHEBI:34970) is conjugate base of saxitoxin(2+) (CHEBI:180458)
IUPAC Name
(3aS,4R,10aS)-4-[(carbamoyloxy)methyl]-10,10-dihydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-bis(iminium)
Synonyms Sources
saxitoxin UniProt
saxitoxin dication ChEBI
Last Modified
13 September 2021